Basic information
- CAS
31835-02-6- Standard SMILES
CCCCCC=CCC=CCCCCCCCC(=O)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O- InChIKey
AUCZMVPHEMGJDJ-UTGHZIEOSA-N- Molecular formula
- C30H52O12
- Average molar mass
- 604.7 g/mol
- Monoisotopic mass
- 604.34587709
Names & identifiers
- Preferred name
- 1-O-(Octadeca-9,12-dienoyl)hex-2-ulofuranosyl hexopyranoside
- IUPAC
- [(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl octadeca-9,12-dienoate
Names & synonyms
DTXSID309537521-O-(Octadeca-9,12-dienoyl)hex-2-ulofuranosyl hexopyranoside1-O-(Octadeca-9,12-dienoyl)-beta-D-fructofuranosyl alpha-D-glucopyranoside
Database identifiers
- CAS
31835-02-6- PubChem CID
- 53662271
- DTXSID
DTXSID30953752
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 196 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 21
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 807
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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